3-[7-[6-[bis(azanyl)methylideneamino]hexyl]-2,5-bis(oxidanylidene)-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-[6-[bis(azanyl)methylideneamino]hexyl]-2,5-bis(oxidanylidene)-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-(6-guanidinohexyl)-2,5-dioxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-[6-(diaminomethylideneamino)hexyl]-2,5-dioxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[6-(diaminomethylideneamino)hexyl]-2,5-dioxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-(6-guanidinohexyl)-2,5-diketo-1-(3-phenoxybenzyl)-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C32H37N5O5 MolecularWeight: 571.66668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCCN=C(N)N)C(=O)N1CCC(=O)O)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCCN=C(N)N)C(=O)N1CCC(=O)O)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C32H37N5O5/c33-32(34)35-17-7-2-1-4-9-23-14-15-28-27(20-23)31(41)36(18-16-30(39)40)22-29(38)37(28)21-24-10-8-13-26(19-24)42-25-11-5-3-6-12-25/h3,5-6,8,10-15,19-20H,1-2,4,7,9,16-18,21-22H2,(H,39,40)(H4,33,34,35)